Isothermal compressibility of SPC/E water
โ Scribed by Motakabbir, Kazi A.; Berkowitz, M.
- Book ID
- 120215160
- Publisher
- American Chemical Society
- Year
- 1990
- Tongue
- English
- Weight
- 532 KB
- Volume
- 94
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Constant temperature molecular dynamics (Iv, V, Tensemble) calculations LIZ performed on 216 SPC/E water molecules at temperatures T=298 and 373 K and density 1 g/cm3, using the reaction field method. The calculated values for the static dielectric constant are+,= 70.7kO.8 at T=298 Kande,,=51 kO.35
The shear viscosity of the SPC and SPC/E water models at 277 and 300 K has been determined using equilibrium molecular dynamics. Good agreement with experiment was obtained for the SPC/E model at both temperatures. The viscosity of the SPC model was lower than the experimental value at both temperat